Materials Data on Pr3Sn5 by Materials Project

doi:10.17188/1749763

Title: Materials Data on Pr3Sn5 by Materials Project

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Abstract

Pr3Sn5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Pr–Sn bond distances ranging from 3.20–3.59 Å. In the second Pr site, Pr is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Pr–Sn bond distances ranging from 3.32–3.61 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to five Pr and four Sn atoms. There are two shorter (3.09 Å) and two longer (3.28 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six Pr and four Sn atoms. There are two shorter (3.09 Å) and one longer (3.12 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a 9-coordinate geometry to six Pr and three Sn atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1190005

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Pr3Sn5; Pr-Sn

OSTI Identifier:: 1749763

DOI:: https://doi.org/10.17188/1749763

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                    The Materials Project. Materials Data on Pr3Sn5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749763.

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                    The Materials Project. Materials Data on Pr3Sn5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749763

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                    The Materials Project. 2020.  
"Materials Data on Pr3Sn5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749763.  https://www.osti.gov/servlets/purl/1749763. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1749763,

  title        = {Materials Data on Pr3Sn5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr3Sn5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Pr–Sn bond distances ranging from 3.20–3.59 Å. In the second Pr site, Pr is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Pr–Sn bond distances ranging from 3.32–3.61 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to five Pr and four Sn atoms. There are two shorter (3.09 Å) and two longer (3.28 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six Pr and four Sn atoms. There are two shorter (3.09 Å) and one longer (3.12 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a 9-coordinate geometry to six Pr and three Sn atoms.},

  doi          = {10.17188/1749763},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1749763

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